Langevin thermostat for Gaussian basis AIMD equilibrates higher than target temperature


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Forum Regular
12:42:11 PM PST - Wed, Jan 31st 2018
github commit id for the:

master branch: 6316102fc746c93cff2bcb3eb4f2ef6550fefc9a
hotfix (6.8.1) branch: 78bac41361c6ac0029cc4b7e8f8b7eb79c0100a0

Let us know if there are any issues.

Best,
-Niri Govind